![CAS 944561-46-0 Acetic acid, 2-[2-[2-(2-propyn-1-yloxy)ethoxy]ethoxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/944561-46-0.gif)
CAS RN: 944561-46-0
Acetic acid, 2-[2-[2-(2-propyn-1-yloxy)ethoxy]ethoxy]-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251001 | 100mg / 250mg / 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-209309
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
944561-46-0 / 2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetic acid
Basic Information
CAS
944561-46-0
Multi CAS
No
Molecular Formula
C9H14O5
Molecular Weight
202.200000
Exact Mass
202.084124
InChI
InChI=1S/C9H14O5/c1-2-3-12-4-5-13-6-7-14-8-9(10)11/h1H,3-8H2,(H,10,11)
InChIKey
FWONAGPFSKACQC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.67
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.93
TPSA
64.99
LogP / Solubility
WLOGP
-0.25
MLOGP
-0.22
XLogP3
-0.5
Consensus LogP
-0.32
Log S (ESOL)
-0.34
Class (ESOL)
Very soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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